(7S)-8-azanyl-7-(4-phenyl-1,3-thiazol-2-yl)-10-sulfanyl-9-azoniaspiro[5.5]undeca-8,10-diene-11-carbonitrile

Systemtic Name: (7S)-8-azanyl-7-(4-phenyl-1,3-thiazol-2-yl)-10-sulfanyl-9-azoniaspiro[5.5]undeca-8,10-diene-11-carbonitrile Openeye Name: (7S)-8-amino-7-(4-phenylthiazol-2-yl)-10-sulfanyl-9-azoniaspiro[5.5]undeca-8,10-diene-11-carbonitrile CAS Name: (7S)-8-amino-10-mercapto-7-(4-phenyl-2-thiazolyl)-9-azoniaspiro[5.5]undeca-8,10-diene-11-carbonitrile IUPAC Name: (7S)-8-amino-7-(4-phenyl-1,3-thiazol-2-yl)-10-sulfanyl-9-azoniaspiro[5.5]undeca-8,10-diene-11-carbonitrile Traditional Name: (7S)-8-amino-10-mercapto-7-(4-phenylthiazol-2-yl)-9-azoniaspiro[5.5]undeca-8,10-diene-11-carbonitrile Formula: C20H21N4S2+ MolecularWeight: 381.53754

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)C(C(=[NH+]C(=C2C#N)S)N)C3=NC(=CS3)C4=CC=CC=C4

Isomeric SMILES

C1CCC2(CC1)[C@@H](C(=[NH+]C(=C2C#N)S)N)C3=NC(=CS3)C4=CC=CC=C4

InChI

InChI=1S/C20H20N4S2/c21-11-14-18(25)24-17(22)16(20(14)9-5-2-6-10-20)19-23-15(12-26-19)13-7-3-1-4-8-13/h1,3-4,7-8,12,16,25H,2,5-6,9-10H2,(H2,22,24)/p+1/t16-/m0/s1